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N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide

View entire compound with spectra: 2 NMR

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID GGgGyb0acLZ
InChI InChI=1S/C26H23BrN4O4S2/c1-35-19-12-15(11-18(27)23(19)33)13-28-30-21(32)14-36-26-29-24-22(17-9-5-6-10-20(17)37-24)25(34)31(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,33H,5-6,9-10,14H2,1H3,(H,30,32)/b28-13+
InChIKey YTXOHJGIGRKEGQ-XODNFHPESA-N
Mol Weight 599.52 g/mol
Molecular Formula C26H23BrN4O4S2
Exact Mass 598.034411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a7I55cZLNV
Name N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.034410581 u
Formula C26H23BrN4O4S2
InChI InChI=1S/C26H23BrN4O4S2/c1-35-19-12-15(11-18(27)23(19)33)13-28-30-21(32)14-36-26-29-24-22(17-9-5-6-10-20(17)37-24)25(34)31(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,33H,5-6,9-10,14H2,1H3,(H,30,32)/b28-13+
InChIKey YTXOHJGIGRKEGQ-XODNFHPESA-N
Molecular Weight 599.518 g/mol
SMILES N(\N=C\C=1C=C(C(=C(C1)Br)O)OC)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=CC=C1)=O